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Aplidinone B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
364.145678248
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄N₂O₄S
0 references
canonical SMILES
O=C1C=2NCCS(=O)(=O)C2C(=O)C(N)=C1CC=C(C)CCC=C(C)C
0 references
isomeric SMILES
CC(C)=CCC/C(C)=C/CC1=C(N)C(=O)C2=C(NCCS2(=O)=O)C1=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Aplidium conicum
1 reference
stated in
Isolation and Structure Determination of Aplidinones A-C from the Mediterranean AscidianAplidium conicum: A Successful Regiochemistry Assignment by Quantum Mechanical13C NMR Chemical Shift Calculations
Identifiers
InChI
InChI=1S/C18H24N2O4S/c1-11(2)5-4-6-12(3)7-8-13-14(19)17(22)18-15(16(13)21)20-9-10-25(18,23)24/h5,7,20H,4,6,8-10,19H2,1-3H3/b12-7+
0 references
InChIKey
DJHHKWSCPIBQME-KPKJPENVSA-N
0 references
PubChem CID
11682091
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DJHHKWSCPIBQME-KPKJPENVSA-N
UniChem compound ID
34030782
1 reference
stated in
UniChem
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